SCHEMBL5032078

SCHEMBL5032078

CN(C)C(=O)c1nccnc1C(=O)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.37
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 3/20 0.35
KDM5A P29375 1/20 0.34
MEN1 O00255 2/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 4/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
AGER Q15109 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25779271 0.91 KDM4E (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL30433281 0.84 ALDH1A1 (0.34) MAP4K1ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL22684456 0.84 ALDH1A1 (0.34) MAP4K1ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL3566913 0.84 PIK3C3 (0.35) MAP4K1ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL12497167 0.81 CYP1A2 (0.41) MAP4K1ALDH1A1HPGDKDM4EMAPT
SCHEMBL12411098 0.77 CXCR2 (0.33) MAP4K1ALDH1A1KDM4EMAPT
SCHEMBL2140821 0.77 EGLN2 (0.47) ALDH1A1KDM4EMAPTALOX15CYP3A4
SCHEMBL2645441 0.77 KDM4E (0.41) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL14818757 0.77 NOS3 (0.45) ALDH1A1SMN1; SMN2KMT2AKDM4EMAPT
SCHEMBL4212744 0.75 KDM4E (0.40) ALDH1A1HPGDKMT2AMEN1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8257686-B2 Compositions and methods relating to prevention of chemotherapy-induced alopecia HSF PHARMACEUTICALS S.A. (CH) 2012-09-04 US disclosed
US-20080255643-A1 COMPOSITIONS AND METHODS RELATING TO PREVENTION OF CHEMOTHERAPY-INDUCED ALOPECIA HSF PHARMACEUTICALS S.A. (CH) 2008-10-16 US disclosed
US-7405080-B2 Compositions and methods relating to prevention of chemotherapy-induced alopecia HSF PHARMACEUTICALS S.A. (CH) 2008-07-29 US disclosed
EP-1427383-B1 COMPOSITIONS AND METHODS RELATING TO PREVENTION OF CHEMOTHERAPY-INDUCED ALOPECIA VOELLMY RICHARD (CH) 2007-07-25 EP disclosed
EP-1427383-A1 COMPOSITIONS AND METHODS RELATING TO PREVENTION OF CHEMOTHERAPY-INDUCED ALOPECIA Voellmy, Richard (CH) 2004-06-16 EP disclosed
WO-2003020227-A1 COMPOSITIONS AND METHODS RELATING TO PREVENTION OF CHEMOTHERAPY-INDUCED ALOPECIA VOELLMY RICHARD (CH) 2003-03-13 WO disclosed
US-20020001629-A1 Pretreatment; inducing stress response HSF PHARMACEUTICALS S.A. (CH) 2002-01-03 US disclosed